dimethyl 3-[4-[(4-methoxythiophene-3-carbonyl)amino]pyrazol-1-yl]pentanedioate

C16H19N3O6S — CID 3848159

IUPACdimethyl 3-[4-[(4-methoxythiophene-3-carbonyl)amino]pyrazol-1-yl]pentanedioate
SMILESCOC(=O)CC(CC(=O)OC)n1cc(NC(=O)c2cscc2OC)cn1
InChIInChI=1S/C16H19N3O6S/c1-23-13-9-26-8-12(13)16(22)18-10-6-17-19(7-10)11(4-14(20)24-2)5-15(21)25-3/h6-9,11H,4-5H2,1-3H3,(H,18,22)
InChIKeyVOVCZGHKCLPRJF-UHFFFAOYSA-N
MW381.41 g/mol
LogP1.87
Rot. Bonds8

About dimethyl 3-[4-[(4-methoxythiophene-3-carbonyl)amino]pyrazol-1-yl]pentanedioate

dimethyl 3-[4-[(4-methoxythiophene-3-carbonyl)amino]pyrazol-1-yl]pentanedioate (PubChem CID 3848159) has the molecular formula C16H19N3O6S and a molecular weight of 381.41 g/mol. Its IUPAC name is dimethyl 3-[4-[(4-methoxythiophene-3-carbonyl)amino]pyrazol-1-yl]pentanedioate.

Molecular Properties

Compound Namedimethyl 3-[4-[(4-methoxythiophene-3-carbonyl)amino]pyrazol-1-yl]pentanedioate
PubChem CID3848159
Molecular FormulaC16H19N3O6S
Molecular Weight381.41 g/mol
Exact Mass381.10
IUPAC Namedimethyl 3-[4-[(4-methoxythiophene-3-carbonyl)amino]pyrazol-1-yl]pentanedioate
SMILESCOC(=O)CC(CC(=O)OC)n1cc(NC(=O)c2cscc2OC)cn1
InChIInChI=1S/C16H19N3O6S/c1-23-13-9-26-8-12(13)16(22)18-10-6-17-19(7-10)11(4-14(20)24-2)5-15(21)25-3/h6-9,11H,4-5H2,1-3H3,(H,18,22)
InChIKeyVOVCZGHKCLPRJF-UHFFFAOYSA-N
XLogP1.87
TPSA108.75 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.41
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

dimethyl 3-[4-[[2-(difluoromethylsulfanyl)benzoyl]amino]pyrazol-1-yl]pentanedioate
CID 3862990
dimethyl 3-[4-[[4-methoxy-3-(trifluoromethyl)benzoyl]amino]pyrazol-1-yl]pentanedioate
CID 3757458
dimethyl 3-[4-[(6-chloropyridine-2-carbonyl)amino]pyrazol-1-yl]pentanedioate
CID 3754878
dimethyl 3-[4-[(2-pyridin-4-yl-1,3-thiazole-4-carbonyl)amino]pyrazol-1-yl]pentanedioate
CID 3757459
N-[1-[2-(3,4-dimethoxyphenyl)ethyl]pyrazol-4-yl]-4-methoxythiophene-3-carboxamide
CID 5151080
methyl 5-[[4-[(4-methoxythiophene-3-carbonyl)amino]pyrazol-1-yl]methyl]furan-2-carboxylate
CID 3762041
dimethyl 3-[4-[(5-bromo-1H-indole-2-carbonyl)amino]pyrazol-1-yl]pentanedioate
CID 3868186
dimethyl 3-[4-[[2-(furan-2-yl)-2-methoxyiminoacetyl]amino]pyrazol-1-yl]pentanedioate
CID 3754874
dimethyl 3-[4-[[2-(thiophene-2-carbonyl)cyclohexanecarbonyl]amino]pyrazol-1-yl]pentanedioate
CID 4657640
(2S)-4-methoxy-4-oxo-2-[(1-propan-2-ylpyrazol-4-yl)carbamoylamino]butanoic acid
CID 63305171
5-amino-2,4-dimethyl-N-(1-propan-2-ylpyrazol-4-yl)benzamide
CID 102705527
2-methoxy-4-methyl-N-[1-(2-methylpropyl)pyrazol-4-yl]benzamide
CID 136533991

Frequently Asked Questions

What is the IUPAC name of dimethyl 3-[4-[(4-methoxythiophene-3-carbonyl)amino]pyrazol-1-yl]pentanedioate?
The IUPAC name of dimethyl 3-[4-[(4-methoxythiophene-3-carbonyl)amino]pyrazol-1-yl]pentanedioate (CID 3848159) is dimethyl 3-[4-[(4-methoxythiophene-3-carbonyl)amino]pyrazol-1-yl]pentanedioate.
What is the SMILES notation for dimethyl 3-[4-[(4-methoxythiophene-3-carbonyl)amino]pyrazol-1-yl]pentanedioate?
The canonical SMILES for dimethyl 3-[4-[(4-methoxythiophene-3-carbonyl)amino]pyrazol-1-yl]pentanedioate is COC(=O)CC(CC(=O)OC)n1cc(NC(=O)c2cscc2OC)cn1.
What is the InChIKey of dimethyl 3-[4-[(4-methoxythiophene-3-carbonyl)amino]pyrazol-1-yl]pentanedioate?
The InChIKey is VOVCZGHKCLPRJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O6S/c1-23-13-9-26-8-12(13)16(22)18-10-6-17-19(7-10)11(4-14(20)24-2)5-15(21)25-3/h6-9,11H,4-5H2,1-3H3,(H,18,22).
What are the key properties of dimethyl 3-[4-[(4-methoxythiophene-3-carbonyl)amino]pyrazol-1-yl]pentanedioate?
dimethyl 3-[4-[(4-methoxythiophene-3-carbonyl)amino]pyrazol-1-yl]pentanedioate has a molecular weight of 381.41 g/mol, XLogP of 1.87, 8 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 3-[4-[(4-methoxythiophene-3-carbonyl)amino]pyrazol-1-yl]pentanedioate is sourced from PubChem (CID 3848159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).